How to generate 3D structures with Marvin Molconverter node?

#1

Hi Marvin lovers,

I'm trying to use Marvin Molconverter node to convert smiles to 3D structures. Googling around I found that in the batch version of molconverter this is done using the “-3” option, and “-3:[prehydrogenize]” to output hydrogen atoms explicitly.

Nevertheless when I add these options in the to the "Output Options" box, the Molconverter node triggers the warning “Unknown option(s)”.

Please, can anybody help in this?

Gio

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#2

Hi Gio,

Unfortunately, the node doesn't support the option.
The node supports only the Basic export options and specified options for each format.

It's only available in comercial products now.

Best,
Taka

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#3

OK Tohshima, thanks for the info.

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#4

New Free Marvin Nodes has the following enhancment.

 Improvements
  -MolConverter
   Add 'Remove small fragments' options.
   Add 'Cleaning' options.

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